Structure of PDB 6dns Chain A Binding Site BS01

Receptor Information
>6dns Chain A (length=590) Species: 264023 (Mariniflexile fucanivorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PDPNQGLRAEWMRGALGMLWLPERTFNGNIEGIRIDDFLTQIKDIRTVDY
VQLPLTSPNIFSPTHVAPHPIIESLWQGDTDANGDPINLVAPRESVDDPL
LSWLKALRAAGLRTEIYVNSYNLLARIPEDTQADYPDVSARWMEWCDTNT
EAQAFINSQTYHEGNGRRKYMFCYAEFILKEYAQRYGDLIDAWCFDSADN
VMEDECGDDPASEDVNDQRIYQAFADACHAGNPNAAIAFNNSVGDREGNP
FTSATLFDDYTFGHPFGGAGNMVVPEALYTYNHDLVVFMQTNNGYAFRDD
TRTWNDNVVAHFFPKQSTTSWNAGNTPCLTDEQFVEWTSTGIVNGGGITW
GTPLVRTNLENAPVLTLQPYALNQFELTDTYLKEFQSPGKPNWSRQYTIL
PAIYPGQPYSHNLVEGVDFWDPEGVGITGLTASGTLPAWLTISQTATGTW
TLSGTPPVSEASNYTFELMAQDSDGVTNREVKLEVISHPAGFTNPGDGTP
VWFSNPMVLAKATALDYGSLLKLGVDFYDFEGDVLTITKTSGPDWLVLTQ
NSDDTWRLSGMPTAADAGENSFTFNVSDILSSDTEIKITV
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6dns Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6dns Endo-fucoidan hydrolases from glycoside hydrolase family 107 (GH107) display structural and mechanistic similarities to alpha-l-fucosidases from GH29.
Resolution2.24 Å
Binding residue
(original residue number in PDB)
F327 R328 D330 R332 D336
Binding residue
(residue number reindexed from 1)
F297 R298 D300 R302 D306
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
Cellular Component
GO:0016020 membrane

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Molecular Function

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Cellular Component
External links
PDB RCSB:6dns, PDBe:6dns, PDBj:6dns
PDBsum6dns
PubMed30282808
UniProtQ08I46

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